UCSF

ZINC03874972

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 No

Popular Name: SNAP SNAP

Find On: PubMed — Wikipedia — Google

CAS Numbers: 152971-80-7 , 67776-06-1 , 79032-48-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.63 2.51 -49.85 1 6 -1 99 219.242 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity >98% Fluorochem
UniProt Database Links GOS11_ARATH; GOS12_ARATH; GOS1_SCHPO; GOSR1_BOVIN; GOSR1_CAEBR; GOSR1_CAEEL; GOSR1_CRIGR; GOSR1_DROME; GOSR1_HUMAN; GOSR1_MOUSE; GOSR1_PONAB; GOSR1_RAT; GOSR1_YEAST; GOSR2_CAEBR; GOSR2_CAEEL; GOSR2_DROME; GOSR2_HUMAN; GOSR2_MOUSE; GOSR2_RAT; HGS_RAT; MEM1 ChEBI
Therapy muscle relaxant (smooth) SMDC MicroSource
therap muscle relaxant (smooth), vasodilator MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-6-O Rattus Norvegicus (cluster #6 Of 12), Other Other 492 0.63 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 492.1 0.63 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.